Benzylethyldimethylammonium chloride
TL;DR: Benzylethyldimethylammonium chloride (CAS 5197-80-8) is a chemical compound with molecular formula C11H18ClN and molecular weight 199.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-ethyl-dimethylazanium chloride
Also Known As: Benzylethyldimethylammonium chloride, Benzalkonium Chloride; Roccal, n-benzyl-n,n-dimethylethanaminium chloride, benzyl-ethyl-dimethylazanium chloride, benzyl-ethyl-dimethylazanium,chloride
| Molecular Formula | C11H18ClN |
|---|---|
| Molecular Weight | 199.11 g/mol |
| LogP | -0.71 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.11278 |
| Heavy Atoms | 13 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 5197-80-8 |
|---|---|
| SMILES | CC[N+](C)(C)CC1=CC=CC=C1.[Cl-] |
| InChIKey | IUHDTQIYNQQIBP-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzylethyldimethylammonium chloride (CAS 5197-80-8), with molecular formula C11H18ClN and molecular weight 199.11 g/mol. IUPAC: benzyl-ethyl-dimethylazanium chloride.
Chemical Property Profile of Benzylethyldimethylammonium chloride
Property Insights of Benzylethyldimethylammonium chloride
The XLogP value of -0.71 indicates that Benzylethyldimethylammonium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 0.0 Ų, Benzylethyldimethylammonium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylethyldimethylammonium chloride has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzylethyldimethylammonium chloride?
The CAS number of Benzylethyldimethylammonium chloride is 5197-80-8.
What is the molecular formula of Benzylethyldimethylammonium chloride?
The molecular formula of Benzylethyldimethylammonium chloride is C11H18ClN.
What is the molecular weight of Benzylethyldimethylammonium chloride?
The molecular weight of Benzylethyldimethylammonium chloride is 199.11 g/mol.
Where can I buy Benzylethyldimethylammonium chloride?
You can request a quote for Benzylethyldimethylammonium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylethyldimethylammonium chloride?
Yes, KEHONG BIO provides custom synthesis services for Benzylethyldimethylammonium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.